#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kgk s ILE 2 N 0.00 2.98 -0.26 2.02 -1.09 -0.67 -5.02 121.20 119.17 2kgk s ILE 2 Ca 0.00 -0.67 0.00 0.00 -2.23 0.00 0.00 60.65 57.75 2kgk s ILE 2 Cb 0.00 -2.26 0.04 0.00 -1.58 0.00 0.00 42.46 38.66 2kgk s ILE 2 CO 0.00 0.51 -0.08 0.68 -1.23 0.00 0.00 174.94 174.82 2kgk s VAL 3 N 0.55 2.53 -0.06 2.92 -7.23 -1.26 -2.50 120.40 115.34 2kgk s VAL 3 Ca -0.08 -1.34 0.03 0.00 -1.81 0.00 0.00 61.98 58.78 2kgk s VAL 3 Cb -0.16 -2.38 -0.02 0.00 0.56 0.00 0.00 36.38 34.38 2kgk s VAL 3 CO 0.04 0.08 -0.15 -0.44 -0.31 0.00 0.00 175.10 174.31 2kgk s SER 4 N 1.22 3.96 -0.09 4.85 0.01 -0.94 -0.13 113.70 122.57 2kgk s SER 4 Ca -0.04 -0.24 0.00 0.00 1.31 0.00 0.00 55.95 56.98 2kgk s SER 4 Cb -0.18 -0.96 -0.03 0.00 0.21 0.00 0.00 66.02 65.06 2kgk s SER 4 CO -0.05 0.31 -0.08 -0.36 0.41 0.00 0.00 173.24 173.47 2kgk s PHE 5 N -0.53 2.91 -0.32 2.43 0.40 -0.75 -1.10 117.98 121.03 2kgk s PHE 5 Ca 0.07 -0.13 0.02 0.00 -0.60 0.00 0.00 56.93 56.30 2kgk s PHE 5 Cb -0.12 -1.76 0.08 0.00 0.51 0.00 0.00 43.02 41.74 2kgk s PHE 5 CO 0.01 0.19 0.01 1.41 0.70 0.00 0.00 175.22 177.54 2kgk s MET 6 N -0.47 1.89 0.01 0.44 1.75 -0.73 -1.48 119.30 120.71 2kgk s MET 6 Ca 0.07 -1.63 0.01 0.00 -1.25 0.00 0.00 55.69 52.89 2kgk s MET 6 Cb -0.12 -3.14 -0.01 0.00 2.84 0.00 0.00 34.83 34.40 2kgk s MET 6 CO 0.02 -0.80 -0.03 0.54 -0.65 0.00 0.00 175.02 174.10 2kgk s VAL 7 N 1.03 0.21 -0.25 10.11 0.11 -1.06 -4.70 120.40 125.85 2kgk s VAL 7 Ca 0.02 -0.47 -0.10 0.00 -2.93 0.00 0.00 61.98 58.51 2kgk s VAL 7 Cb -0.20 -0.25 -0.04 0.00 -1.53 0.00 0.00 36.38 34.36 2kgk s VAL 7 CO -0.06 -0.17 0.14 0.00 -3.33 0.00 0.00 175.10 171.68 2kgk s ALA 8 N -0.64 3.46 -0.28 1.54 0.00 -1.26 -1.77 121.76 122.80 2kgk s ALA 8 Ca -0.05 -1.00 -0.15 0.00 0.00 0.00 0.00 51.96 50.75 2kgk s ALA 8 Cb -0.05 -2.28 -0.03 0.00 0.00 0.00 0.00 23.12 20.76 2kgk s ALA 8 CO -0.00 -0.35 0.39 -1.64 0.00 0.00 0.00 175.76 174.16 2kgk s MET 9 N 1.37 3.94 -0.11 0.00 -1.94 0.24 -4.23 119.30 118.56 2kgk s MET 9 Ca 0.07 -0.01 -0.07 0.00 -1.71 0.00 0.00 55.69 53.97 2kgk s MET 9 Cb -0.15 -3.69 -0.04 0.00 2.01 0.00 0.00 34.83 32.97 2kgk s MET 9 CO 0.06 -0.34 0.15 -0.51 -0.01 0.00 0.00 175.02 174.37 2kgk s ASP 10 N 1.65 6.40 0.45 3.03 1.11 -1.08 -1.46 116.67 126.77 2kgk s ASP 10 Ca 0.15 0.48 0.13 0.00 0.18 0.00 0.00 52.55 53.50 2kgk s ASP 10 Cb -0.16 -2.07 1.01 0.00 1.07 0.00 0.00 42.92 42.77 2kgk s ASP 10 CO 0.10 0.40 2.02 1.05 1.18 0.00 0.00 175.17 179.93 2kgk h GLU 11 N 4.94 0.10 -0.70 8.23 4.11 -1.89 -1.99 114.58 127.38 2kgk h GLU 11 Ca -0.55 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 58.87 2kgk h GLU 11 Cb 1.23 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.46 2kgk h GLU 11 CO 0.58 0.19 0.00 0.09 0.07 0.00 0.00 179.01 179.95 2kgk n ASN 12 N -4.38 4.20 0.00 3.06 3.02 -1.26 -4.84 115.26 115.06 2kgk n ASN 12 Ca -0.02 -2.61 0.00 0.00 -0.03 0.00 0.00 54.58 51.93 2kgk n ASN 12 Cb 0.19 -0.61 0.00 0.00 -0.61 0.00 0.00 39.78 38.75 2kgk n ASN 12 CO 0.00 0.00 0.00 -2.11 -2.62 0.00 0.00 177.26 172.53 2kgk n ARG 13 N 0.47 0.00 0.00 3.52 1.85 -0.75 -3.82 116.66 117.93 2kgk n ARG 13 Ca 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 57.04 2kgk n ARG 13 Cb 0.88 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 32.29 2kgk n ARG 13 CO 0.00 0.00 0.00 1.55 -0.01 0.00 0.00 177.63 179.17 2kgk n VAL 14 N 0.00 0.00 -0.77 8.89 3.14 -0.72 -2.27 118.33 126.59 2kgk n VAL 14 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 2kgk n VAL 14 Cb 0.00 -0.26 0.00 0.00 -1.06 0.00 0.00 33.84 32.52 2kgk n VAL 14 CO 0.00 0.00 0.00 2.30 -6.46 0.00 0.00 176.83 172.67 2kgk n ILE 15 N -2.22 0.00 -3.89 1.55 -5.35 -1.11 -2.63 119.36 105.70 2kgk n ILE 15 Ca 0.00 0.00 -0.30 0.00 -0.27 0.00 0.00 62.75 62.18 2kgk n ILE 15 Cb 0.00 0.13 -0.15 0.00 -1.74 0.00 0.00 39.64 37.88 2kgk n ILE 15 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2kgk s GLY 16 N 0.00 1.42 -0.15 3.28 0.00 -1.12 -4.48 107.32 106.28 2kgk s GLY 16 Ca 0.00 -1.86 -0.01 0.00 0.00 0.00 0.00 44.72 42.85 2kgk s GLY 16 CO 0.00 1.18 0.25 0.58 0.00 0.00 0.00 173.10 175.11 2kgk n LYS 17 N 4.60 0.71 -3.14 2.90 2.85 -0.90 -1.80 118.16 123.39 2kgk n LYS 17 Ca -0.03 0.22 0.04 0.00 -1.05 0.00 0.00 58.31 57.50 2kgk n LYS 17 Cb 0.43 -1.66 -0.00 0.00 -0.65 0.00 0.00 35.03 33.14 2kgk n LYS 17 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 2kgk s ASP 18 N -6.70 -1.16 0.00 -5.58 2.15 -1.26 -3.95 116.67 100.17 2kgk s ASP 18 Ca -0.22 0.07 0.00 0.00 0.43 0.00 0.00 52.55 52.82 2kgk s ASP 18 Cb 0.07 1.71 0.00 0.00 -0.30 0.00 0.00 42.92 44.40 2kgk s ASP 18 CO 0.74 -0.21 0.00 0.59 -0.17 0.00 0.00 175.17 176.13 2kgk n ASN 19 N 5.19 -0.07 0.00 -0.34 3.02 -1.26 -4.54 115.26 117.26 2kgk n ASN 19 Ca 0.07 0.03 0.00 0.00 -0.03 0.00 0.00 54.58 54.65 2kgk n ASN 19 Cb 0.56 -0.48 0.00 0.00 -0.61 0.00 0.00 39.78 39.24 2kgk n ASN 19 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2kgk n ASN 20 N 0.73 0.00 -3.96 6.41 5.15 -1.26 -4.62 115.26 117.72 2kgk n ASN 20 Ca 0.00 0.00 -0.08 0.00 -0.60 0.00 0.00 54.58 53.90 2kgk n ASN 20 Cb 0.03 0.00 -0.09 0.00 -0.53 0.00 0.00 39.78 39.20 2kgk n ASN 20 CO 0.00 0.00 0.00 -1.48 1.40 0.00 0.00 177.26 177.18 2kgk s LEU 21 N 0.00 1.89 0.00 1.20 -0.00 -1.26 -2.11 118.68 118.40 2kgk s LEU 21 Ca 0.00 -0.75 -0.04 0.00 -0.00 0.00 0.00 54.13 53.34 2kgk s LEU 21 Cb 0.00 0.64 0.06 0.00 -0.00 0.00 0.00 46.19 46.89 2kgk s LEU 21 CO 0.00 -0.63 0.21 -0.81 -0.00 0.00 0.00 176.35 175.12 2kgk n PRO 22 N 0.19 -1.54 -4.32 1.48 -0.04 -1.26 -5.07 135.00 124.44 2kgk n PRO 22 Ca -0.16 -0.34 -0.19 0.00 -0.04 0.00 0.00 63.50 62.77 2kgk n PRO 22 Cb 0.61 -0.33 -0.11 0.00 -0.04 0.00 0.00 33.50 33.64 2kgk n PRO 22 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 2kgk s TRP 23 N -1.38 1.68 -1.00 0.54 0.51 -1.26 -5.08 118.94 112.95 2kgk s TRP 23 Ca 0.14 -0.53 -0.04 0.00 -2.12 0.00 0.00 56.10 53.55 2kgk s TRP 23 Cb -0.01 -0.82 0.27 0.00 -0.81 0.00 0.00 33.47 32.10 2kgk s TRP 23 CO 0.11 0.30 1.12 -2.13 -0.51 0.00 0.00 176.95 175.83 2kgk n ARG 24 N 0.06 3.52 -1.44 4.98 0.63 -1.26 -4.89 116.66 118.26 2kgk n ARG 24 Ca -0.11 -4.52 0.00 0.00 -0.92 0.00 0.00 57.85 52.29 2kgk n ARG 24 Cb 0.58 -2.47 0.00 0.00 0.45 0.00 0.00 32.46 31.02 2kgk n ARG 24 CO 0.00 0.00 0.00 -0.11 -2.51 0.00 0.00 177.63 175.01 2kgk n LEU 25 N 1.93 -3.72 0.30 6.15 0.00 -1.26 -4.37 117.00 116.04 2kgk n LEU 25 Ca 0.25 1.10 0.20 0.00 0.00 0.00 0.00 56.01 57.56 2kgk n LEU 25 Cb 0.37 -1.84 1.02 0.00 0.00 0.00 0.00 43.42 42.97 2kgk n LEU 25 CO 0.52 -1.03 1.10 1.55 0.00 0.00 0.00 177.39 179.53 2kgk h PRO 26 N 1.61 0.00 0.16 1.96 0.13 -1.90 -1.53 132.00 132.43 2kgk h PRO 26 Ca 0.00 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.82 2kgk h PRO 26 Cb 0.00 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.14 2kgk h PRO 26 CO 0.00 0.00 -1.45 0.77 -0.23 0.00 0.00 178.00 177.09 2kgk h SER 27 N 0.00 0.52 0.12 1.44 0.02 -2.00 -3.26 113.55 110.39 2kgk h SER 27 Ca 0.00 -0.63 -0.01 0.00 -0.84 0.00 0.00 61.79 60.32 2kgk h SER 27 Cb 0.12 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.49 2kgk h SER 27 CO 0.00 1.51 -0.06 -0.08 -1.14 0.00 0.00 176.83 177.06 2kgk h GLU 28 N 0.09 -0.15 -0.19 3.45 4.22 -1.49 -1.49 114.58 119.02 2kgk h GLU 28 Ca -0.22 0.01 0.05 0.00 0.08 0.00 0.00 59.36 59.28 2kgk h GLU 28 Cb 2.04 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 31.32 2kgk h GLU 28 CO 0.20 -0.01 0.25 1.37 -2.18 0.00 0.00 179.01 178.64 2kgk h LEU 29 N -0.27 0.00 0.20 1.64 8.10 -1.63 0.22 115.31 123.57 2kgk h LEU 29 Ca -0.02 0.00 -0.32 0.00 0.11 0.00 0.00 57.88 57.66 2kgk h LEU 29 Cb 0.22 0.00 0.03 0.00 -0.44 0.00 0.00 40.66 40.47 2kgk h LEU 29 CO 0.03 0.00 -1.39 1.56 -4.11 0.00 0.00 178.44 174.53 2kgk h GLN 30 N 0.00 0.50 -0.11 0.17 4.20 -1.39 -2.70 115.11 115.78 2kgk h GLN 30 Ca 0.09 -0.81 -0.04 0.00 0.06 0.00 0.00 58.65 57.94 2kgk h GLN 30 Cb 0.59 0.30 -0.00 0.00 0.30 0.00 0.00 27.48 28.66 2kgk h GLN 30 CO -0.00 1.38 -0.09 1.88 -0.67 0.00 0.00 178.83 181.33 2kgk h TYR 31 N 0.15 0.31 0.02 2.96 -1.99 -0.04 -1.93 116.97 116.46 2kgk h TYR 31 Ca -0.22 -0.09 -0.00 0.00 2.00 0.00 0.00 58.73 60.42 2kgk h TYR 31 Cb 2.09 -0.07 0.00 0.00 2.00 0.00 0.00 36.73 40.75 2kgk h TYR 31 CO 0.11 0.66 -0.01 -0.24 -0.00 0.00 0.00 178.16 178.68 2kgk h VAL 32 N -0.13 1.08 -0.76 -2.88 3.04 -1.27 0.13 116.25 115.46 2kgk h VAL 32 Ca 0.02 -0.32 0.01 0.00 -1.01 0.00 0.00 66.70 65.40 2kgk h VAL 32 Cb 0.60 1.30 -0.04 0.00 -2.01 0.00 0.00 31.29 31.14 2kgk h VAL 32 CO 0.02 0.08 0.50 0.07 -1.01 0.00 0.00 177.57 177.24 2kgk h LYS 33 N -0.17 0.98 0.00 4.17 2.10 -1.55 0.70 116.57 122.80 2kgk h LYS 33 Ca -0.00 -0.06 0.00 0.00 -2.00 0.00 0.00 60.65 58.59 2kgk h LYS 33 Cb 0.16 -0.22 0.00 0.00 -0.90 0.00 0.00 32.23 31.27 2kgk h LYS 33 CO 0.01 0.65 0.00 1.57 -2.00 0.00 0.00 179.45 179.68 2kgk h LYS 34 N 1.01 0.00 0.00 0.07 2.10 -1.22 0.94 116.57 119.47 2kgk h LYS 34 Ca 0.29 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.91 2kgk h LYS 34 Cb -0.08 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.24 2kgk h LYS 34 CO -0.07 0.00 -0.23 1.15 -2.00 0.00 0.00 179.45 178.29 2kgk h THR 35 N 0.00 0.58 -0.50 0.07 2.02 0.77 -3.37 112.91 112.49 2kgk h THR 35 Ca 0.00 -1.49 -0.15 0.00 0.77 0.00 0.00 66.41 65.54 2kgk h THR 35 Cb 0.60 1.15 -0.09 0.00 -1.74 0.00 0.00 68.15 68.07 2kgk h THR 35 CO 0.00 0.20 0.11 1.07 0.37 0.00 0.00 175.52 177.27 2kgk n THR 36 N -4.67 2.64 -0.84 3.16 5.66 0.09 -5.02 114.28 115.31 2kgk n THR 36 Ca -0.08 -2.01 -0.39 0.00 -3.05 0.00 0.00 64.05 58.53 2kgk n THR 36 Cb 0.25 -0.32 -0.08 0.00 -1.55 0.00 0.00 70.33 68.64 2kgk n THR 36 CO 0.00 0.00 0.00 0.80 -3.05 0.00 0.00 175.07 172.82 2kgk n MET 37 N -0.55 0.00 0.00 1.09 1.56 0.32 -4.05 117.12 115.49 2kgk n MET 37 Ca 0.33 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.76 2kgk n MET 37 Cb 1.15 -0.96 0.00 0.00 2.15 0.00 0.00 33.22 35.56 2kgk n MET 37 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 2kgk n GLY 38 N 4.51 0.19 1.49 -5.12 0.00 0.26 -4.94 105.19 101.58 2kgk n GLY 38 Ca 0.33 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.88 2kgk n GLY 38 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2kgk n HIS 39 N 0.00 -3.44 -2.44 1.61 8.25 -1.26 -3.33 115.22 114.61 2kgk n HIS 39 Ca 0.00 1.86 -0.41 0.00 -0.26 0.00 0.00 57.72 58.90 2kgk n HIS 39 Cb 0.00 -2.87 -0.03 0.00 1.12 0.00 0.00 29.99 28.21 2kgk n HIS 39 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 2kgk s PRO 40 N -4.85 4.50 -0.13 -0.41 0.04 -1.26 -2.17 135.00 130.72 2kgk s PRO 40 Ca 0.00 1.78 -0.01 0.00 0.04 0.00 0.00 61.00 62.81 2kgk s PRO 40 Cb 0.00 -3.29 0.03 0.00 0.04 0.00 0.00 34.50 31.28 2kgk s PRO 40 CO 0.00 -0.10 -0.05 -1.17 0.04 0.00 0.00 177.00 175.72 2kgk s LEU 41 N 0.23 1.24 -0.15 -3.56 2.96 0.47 -2.38 118.68 117.49 2kgk s LEU 41 Ca 0.54 -0.43 -0.08 0.00 -0.22 0.00 0.00 54.13 53.94 2kgk s LEU 41 Cb -0.30 -0.79 -0.04 0.00 0.50 0.00 0.00 46.19 45.56 2kgk s LEU 41 CO 0.33 -0.17 0.11 -0.63 -1.32 0.00 0.00 176.35 174.68 2kgk s ILE 42 N 1.73 5.28 0.05 6.68 1.09 -1.00 0.17 121.20 135.21 2kgk s ILE 42 Ca 0.03 0.13 -0.01 0.00 -1.10 0.00 0.00 60.65 59.70 2kgk s ILE 42 Cb -0.14 -3.34 -0.04 0.00 -1.06 0.00 0.00 42.46 37.88 2kgk s ILE 42 CO -0.08 0.54 -0.03 -0.04 -0.10 0.00 0.00 174.94 175.23 2kgk s MET 43 N -0.40 0.61 0.13 2.79 -1.94 0.15 0.12 119.30 120.75 2kgk s MET 43 Ca 0.11 -1.20 -0.30 0.00 -1.71 0.00 0.00 55.69 52.60 2kgk s MET 43 Cb -0.12 0.18 -0.06 0.00 2.01 0.00 0.00 34.83 36.84 2kgk s MET 43 CO 0.01 -0.10 1.00 0.20 -0.01 0.00 0.00 175.02 176.12 2kgk s GLY 44 N -2.85 2.96 0.28 -0.03 0.00 -0.84 -1.27 107.32 105.57 2kgk s GLY 44 Ca 0.06 0.64 0.02 0.00 0.00 0.00 0.00 44.72 45.44 2kgk s GLY 44 CO -0.09 1.51 1.67 0.07 0.00 0.00 0.00 173.10 176.26 2kgk h ARG 45 N 5.47 0.29 -0.01 2.90 0.11 -1.90 0.67 114.38 121.91 2kgk h ARG 45 Ca -0.43 -0.02 0.03 0.00 0.10 0.00 0.00 59.98 59.66 2kgk h ARG 45 Cb 1.21 -0.07 -0.04 0.00 1.11 0.00 0.00 29.97 32.18 2kgk h ARG 45 CO 0.72 0.19 -0.25 -0.22 0.10 0.00 0.00 179.97 180.52 2kgk h LYS 46 N 0.30 -0.36 0.47 0.08 1.63 -1.91 0.21 116.57 116.98 2kgk h LYS 46 Ca 0.54 0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 60.35 2kgk h LYS 46 Cb 1.05 0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 32.74 2kgk h LYS 46 CO -0.58 -0.24 -0.41 -0.91 -3.45 0.00 0.00 179.45 173.85 2kgk h ASN 47 N -0.38 -1.11 -0.52 4.20 2.35 -1.27 -0.20 115.58 118.65 2kgk h ASN 47 Ca 0.07 0.09 0.08 0.00 -0.55 0.00 0.00 56.30 55.99 2kgk h ASN 47 Cb 0.47 0.36 -0.10 0.00 0.05 0.00 0.00 38.32 39.10 2kgk h ASN 47 CO -0.23 -0.58 -0.41 0.22 -1.65 0.00 0.00 177.43 174.79 2kgk h TYR 48 N -0.88 -1.17 -0.94 1.19 3.20 -0.88 1.10 116.97 118.59 2kgk h TYR 48 Ca -0.05 0.07 0.23 0.00 3.14 0.00 0.00 58.73 62.13 2kgk h TYR 48 Cb 0.77 0.59 -0.06 0.00 1.54 0.00 0.00 36.73 39.56 2kgk h TYR 48 CO -0.20 -0.42 0.63 0.93 -1.64 0.00 0.00 178.16 177.46 2kgk h GLU 49 N -0.25 0.30 -0.06 1.82 5.08 -0.28 0.75 114.58 121.94 2kgk h GLU 49 Ca 0.18 -0.02 -0.16 0.00 -1.00 0.00 0.00 59.36 58.35 2kgk h GLU 49 Cb 0.57 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 2kgk h GLU 49 CO -0.64 0.20 -0.68 0.00 -1.00 0.00 0.00 179.01 176.89 2kgk h ALA 50 N 1.59 0.73 -0.01 3.43 0.00 0.29 -3.10 119.26 122.19 2kgk h ALA 50 Ca 0.49 -0.59 -0.20 0.00 0.00 0.00 0.00 54.91 54.61 2kgk h ALA 50 Cb 1.38 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 2kgk h ALA 50 CO -0.16 0.77 -0.87 0.82 0.00 0.00 0.00 179.25 179.81 2kgk h ILE 51 N 0.20 1.45 0.00 0.00 2.04 0.41 -3.46 117.51 118.15 2kgk h ILE 51 Ca -0.02 -2.50 0.00 0.00 1.00 0.00 0.00 64.86 63.34 2kgk h ILE 51 Cb 1.22 2.40 0.00 0.00 -0.74 0.00 0.00 36.82 39.70 2kgk h ILE 51 CO 0.11 0.74 0.00 0.61 0.00 0.00 0.00 178.15 179.60 2kgk n GLY 52 N 0.84 0.00 3.64 5.37 0.00 0.13 -4.84 105.19 110.33 2kgk n GLY 52 Ca -0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.67 2kgk n GLY 52 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kgk s ARG 53 N -0.43 2.49 0.00 1.61 0.52 -1.26 -5.09 118.95 116.79 2kgk s ARG 53 Ca 0.00 -0.81 0.00 0.00 -0.52 0.00 0.00 55.73 54.40 2kgk s ARG 53 Cb 0.00 -2.50 0.00 0.00 0.52 0.00 0.00 34.95 32.97 2kgk s ARG 53 CO 0.00 0.56 0.00 -0.35 0.02 0.00 0.00 175.30 175.53 2kgk n PRO 54 N 0.97 1.01 0.00 3.54 -0.04 -1.26 -5.07 135.00 134.16 2kgk n PRO 54 Ca -0.13 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.33 2kgk n PRO 54 Cb 0.52 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.98 2kgk n PRO 54 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 2kgk n LEU 55 N 0.00 0.00 -0.34 1.53 7.94 -1.26 -5.02 117.00 119.85 2kgk n LEU 55 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 2kgk n LEU 55 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 2kgk n LEU 55 CO 0.00 0.00 0.27 -0.81 -1.11 0.00 0.00 177.39 175.74 2kgk n PRO 56 N 0.00 0.83 -0.00 1.96 -0.04 -1.26 -2.68 135.00 133.80 2kgk n PRO 56 Ca 0.00 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.50 2kgk n PRO 56 Cb 0.00 -1.28 -0.05 0.00 -0.04 0.00 0.00 33.50 32.13 2kgk n PRO 56 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2kgk n GLY 57 N 0.16 0.13 3.21 0.55 0.00 -1.26 -4.94 105.19 103.05 2kgk n GLY 57 Ca 0.00 -0.25 -0.10 0.00 0.00 0.00 0.00 46.02 45.67 2kgk n GLY 57 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kgk s ARG 58 N -1.89 0.31 -0.88 1.61 0.52 -1.09 0.92 118.95 118.46 2kgk s ARG 58 Ca 0.03 0.83 -0.19 0.00 -0.52 0.00 0.00 55.73 55.88 2kgk s ARG 58 Cb 0.07 0.08 -0.23 0.00 0.52 0.00 0.00 34.95 35.38 2kgk s ARG 58 CO 0.36 -0.21 2.33 0.54 0.02 0.00 0.00 175.30 178.35 2kgk n ARG 59 N 4.77 0.29 -2.61 3.54 1.74 -0.92 -4.84 116.66 118.63 2kgk n ARG 59 Ca -0.16 -0.31 -0.43 0.00 -0.77 0.00 0.00 57.85 56.18 2kgk n ARG 59 Cb 0.52 -2.25 -0.02 0.00 -1.02 0.00 0.00 32.46 29.69 2kgk n ARG 59 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2kgk s ASN 60 N 6.03 7.15 -0.06 0.55 2.20 -1.26 -0.39 114.94 129.16 2kgk s ASN 60 Ca 1.15 1.58 0.01 0.00 -0.94 0.00 0.00 52.86 54.66 2kgk s ASN 60 Cb -0.57 -2.55 0.02 0.00 -2.00 0.00 0.00 41.25 36.14 2kgk s ASN 60 CO 0.36 -0.54 -0.08 -0.63 -2.94 0.00 0.00 177.10 173.26 2kgk s ILE 61 N 2.39 0.82 -0.15 0.54 1.01 0.13 -2.16 121.20 123.78 2kgk s ILE 61 Ca 0.50 -0.28 -0.04 0.00 0.00 0.00 0.00 60.65 60.83 2kgk s ILE 61 Cb -0.19 -0.79 -0.03 0.00 0.01 0.00 0.00 42.46 41.45 2kgk s ILE 61 CO 0.16 0.29 -0.01 0.27 0.00 0.00 0.00 174.94 175.65 2kgk s ILE 62 N 0.87 4.14 -0.23 2.92 -4.36 0.65 0.29 121.20 125.49 2kgk s ILE 62 Ca -0.12 -0.28 -0.18 0.00 -0.26 0.00 0.00 60.65 59.82 2kgk s ILE 62 Cb -0.15 -2.81 -0.03 0.00 1.25 0.00 0.00 42.46 40.72 2kgk s ILE 62 CO 0.01 0.51 0.52 -0.69 0.24 0.00 0.00 174.94 175.53 2kgk s VAL 63 N 0.10 5.09 -0.24 8.37 1.01 -0.39 -0.51 120.40 133.82 2kgk s VAL 63 Ca 0.01 0.92 -0.21 0.00 0.00 0.00 0.00 61.98 62.69 2kgk s VAL 63 Cb -0.13 -3.83 0.06 0.00 0.00 0.00 0.00 36.38 32.48 2kgk s VAL 63 CO 0.02 0.13 0.63 0.28 0.00 0.00 0.00 175.10 176.17 2kgk s THR 64 N 1.96 -0.00 -0.48 3.92 -1.32 0.11 -3.57 115.64 116.26 2kgk s THR 64 Ca 0.23 0.00 -0.18 0.00 -1.21 0.00 0.00 61.69 60.53 2kgk s THR 64 Cb -0.15 -0.88 0.05 0.00 -1.51 0.00 0.00 72.50 70.01 2kgk s THR 64 CO 0.09 0.00 0.54 0.00 -2.21 0.00 0.00 174.62 173.04 2kgk s ARG 65 N 0.41 3.09 -0.30 7.08 1.70 -1.26 -4.31 118.95 125.36 2kgk s ARG 65 Ca -0.01 -0.94 -0.14 0.00 -0.47 0.00 0.00 55.73 54.17 2kgk s ARG 65 Cb -0.04 -4.07 0.18 0.00 -0.57 0.00 0.00 34.95 30.44 2kgk s ARG 65 CO -0.00 -1.09 1.11 0.54 -1.08 0.00 0.00 175.30 174.77 2kgk s ASN 66 N 2.46 -0.32 -0.27 -2.89 2.20 -1.26 -5.10 114.94 109.75 2kgk s ASN 66 Ca 0.12 0.14 -0.29 0.00 -0.94 0.00 0.00 52.86 51.90 2kgk s ASN 66 Cb -0.20 1.24 -0.02 0.00 -2.00 0.00 0.00 41.25 40.28 2kgk s ASN 66 CO 0.11 -0.06 1.70 -1.83 -2.94 0.00 0.00 177.10 174.08 2kgk s GLU 67 N 2.97 3.58 0.00 3.55 4.04 -1.26 -2.10 118.70 129.48 2kgk s GLU 67 Ca 0.06 1.55 0.00 0.00 0.04 0.00 0.00 54.97 56.62 2kgk s GLU 67 Cb -0.07 -4.11 0.00 0.00 0.02 0.00 0.00 34.13 29.97 2kgk s GLU 67 CO -0.14 -1.56 0.00 0.41 -1.84 0.00 0.00 175.26 172.14 2kgk n GLY 68 N 5.03 1.21 3.78 -3.83 0.00 -1.26 -5.10 105.19 105.02 2kgk n GLY 68 Ca 0.21 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.83 2kgk n GLY 68 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2kgk s TYR 69 N -2.00 3.89 -0.11 1.61 5.04 -0.89 -5.06 117.35 119.82 2kgk s TYR 69 Ca 0.00 1.58 -0.06 0.00 -2.44 0.00 0.00 57.07 56.15 2kgk s TYR 69 Cb 0.00 -2.73 0.04 0.00 0.35 0.00 0.00 41.96 39.62 2kgk s TYR 69 CO 0.00 0.52 0.26 -1.58 -1.34 0.00 0.00 175.55 173.41 2kgk s HIS 70 N -1.11 -0.34 -0.20 4.97 2.46 -1.26 -4.94 115.29 114.87 2kgk s HIS 70 Ca 0.35 0.81 0.00 0.00 0.47 0.00 0.00 55.06 56.70 2kgk s HIS 70 Cb -0.23 0.07 0.05 0.00 -0.13 0.00 0.00 32.58 32.34 2kgk s HIS 70 CO 0.25 -0.23 -0.07 0.08 -2.47 0.00 0.00 174.74 172.30 2kgk s VAL 71 N 1.15 1.44 -0.05 0.89 1.01 -1.26 -5.10 120.40 118.48 2kgk s VAL 71 Ca -0.08 -0.96 -0.30 0.00 0.00 0.00 0.00 61.98 60.64 2kgk s VAL 71 Cb -0.09 -1.61 -0.05 0.00 0.00 0.00 0.00 36.38 34.63 2kgk s VAL 71 CO -0.08 0.07 1.45 -1.83 0.00 0.00 0.00 175.10 174.72 2kgk s GLU 72 N 1.47 4.24 0.00 2.72 -1.05 -1.26 -2.28 118.70 122.54 2kgk s GLU 72 Ca -0.02 1.98 0.00 0.00 -0.15 0.00 0.00 54.97 56.78 2kgk s GLU 72 Cb -0.17 -3.74 0.00 0.00 -0.44 0.00 0.00 34.13 29.78 2kgk s GLU 72 CO -0.07 -0.69 0.00 0.41 0.95 0.00 0.00 175.26 175.86 2kgk n GLY 73 N 3.79 0.74 3.18 -3.83 0.00 -1.26 -5.06 105.19 102.75 2kgk n GLY 73 Ca 0.15 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.06 2kgk n GLY 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kgk s GLU 75 N -2.47 4.15 0.23 0.00 0.41 -0.92 -4.43 118.70 115.66 2kgk s GLU 75 Ca -0.06 0.41 -0.20 0.00 -0.41 0.00 0.00 54.97 54.71 2kgk s GLU 75 Cb -0.01 -3.34 -0.08 0.00 -1.78 0.00 0.00 34.13 28.91 2kgk s GLU 75 CO -0.03 0.41 0.74 0.08 -0.49 0.00 0.00 175.26 175.96 2kgk s VAL 76 N -0.16 4.53 0.04 2.63 1.01 -1.26 -0.25 120.40 126.93 2kgk s VAL 76 Ca 0.24 1.34 -0.01 0.00 0.00 0.00 0.00 61.98 63.55 2kgk s VAL 76 Cb -0.16 -3.88 -0.03 0.00 0.00 0.00 0.00 36.38 32.31 2kgk s VAL 76 CO 0.11 0.22 -0.01 0.00 0.00 0.00 0.00 175.10 175.42 2kgk s ALA 77 N -1.51 0.28 1.00 5.51 0.00 0.33 -4.86 121.76 122.51 2kgk s ALA 77 Ca 0.43 -0.87 0.00 0.00 0.00 0.00 0.00 51.96 51.52 2kgk s ALA 77 Cb -0.17 0.22 0.00 0.00 0.00 0.00 0.00 23.12 23.17 2kgk s ALA 77 CO 0.21 -0.28 0.00 0.72 0.00 0.00 0.00 175.76 176.42 2kgk n HIS 78 N 0.81 -3.37 -0.64 0.00 8.25 -1.26 -0.71 115.22 118.29 2kgk n HIS 78 Ca -0.19 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.04 2kgk n HIS 78 Cb 0.58 0.00 0.21 0.00 1.12 0.00 0.00 29.99 31.90 2kgk n HIS 78 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2kgk n SER 79 N -2.57 -2.55 0.26 0.41 2.88 -1.26 -4.12 113.62 106.68 2kgk n SER 79 Ca 0.00 -0.89 0.18 0.00 -1.33 0.00 0.00 58.87 56.83 2kgk n SER 79 Cb 0.00 -0.78 0.88 0.00 -0.75 0.00 0.00 64.21 63.56 2kgk n SER 79 CO 0.00 0.00 0.00 1.62 -1.23 0.00 0.00 175.04 175.43 2kgk h VAL 80 N -2.77 0.19 -0.87 2.46 3.04 -1.98 0.59 116.25 116.91 2kgk h VAL 80 Ca -0.31 0.00 0.01 0.00 -1.01 0.00 0.00 66.70 65.39 2kgk h VAL 80 Cb 1.00 0.77 -0.04 0.00 -2.01 0.00 0.00 31.29 31.00 2kgk h VAL 80 CO 0.20 0.00 0.58 -0.33 -1.01 0.00 0.00 177.57 177.00 2kgk h GLU 81 N 0.00 1.13 0.14 4.17 5.08 -2.00 0.18 114.58 123.28 2kgk h GLU 81 Ca 0.05 -0.07 -0.23 0.00 -1.00 0.00 0.00 59.36 58.12 2kgk h GLU 81 Cb 0.57 -0.25 0.03 0.00 0.50 0.00 0.00 28.75 29.59 2kgk h GLU 81 CO -0.00 0.74 -0.98 1.49 -1.00 0.00 0.00 179.01 179.27 2kgk h GLU 82 N 1.16 0.41 -0.56 2.33 4.22 -1.17 -3.29 114.58 117.68 2kgk h GLU 82 Ca 0.32 -0.63 -0.00 0.00 0.08 0.00 0.00 59.36 59.13 2kgk h GLU 82 Cb -0.10 0.23 -0.03 0.00 0.50 0.00 0.00 28.75 29.34 2kgk h GLU 82 CO -0.08 1.28 0.34 0.28 -2.18 0.00 0.00 179.01 178.65 2kgk h VAL 83 N -0.15 1.16 -0.58 0.32 2.07 -1.24 -1.93 116.25 115.89 2kgk h VAL 83 Ca -0.16 -0.35 0.05 0.00 0.82 0.00 0.00 66.70 67.06 2kgk h VAL 83 Cb 1.74 0.37 -0.05 0.00 -1.52 0.00 0.00 31.29 31.84 2kgk h VAL 83 CO 0.18 0.17 0.31 0.15 0.02 0.00 0.00 177.57 178.40 2kgk h PHE 84 N 0.77 0.56 -0.02 1.57 3.57 -0.71 0.90 116.94 123.58 2kgk h PHE 84 Ca 0.20 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.68 2kgk h PHE 84 Cb -0.03 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 38.55 2kgk h PHE 84 CO 0.00 0.27 -0.17 1.05 -2.23 0.00 0.00 178.31 177.23 2kgk h GLU 85 N 0.58 0.14 -0.03 1.11 4.11 -1.54 -3.20 114.58 115.76 2kgk h GLU 85 Ca 0.26 -0.13 0.01 0.00 0.07 0.00 0.00 59.36 59.57 2kgk h GLU 85 Cb 0.17 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.45 2kgk h GLU 85 CO -0.18 0.83 0.02 -0.07 0.07 0.00 0.00 179.01 179.69 2kgk h LEU 86 N -0.50 0.00 -0.98 3.06 3.38 -1.25 -1.74 115.31 117.28 2kgk h LEU 86 Ca -0.02 0.00 0.17 0.00 0.09 0.00 0.00 57.88 58.13 2kgk h LEU 86 Cb 0.88 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.53 2kgk h LEU 86 CO 0.03 0.00 0.59 0.00 0.09 0.00 0.00 178.44 179.15 2kgk n LYS 88 N -4.76 0.49 0.00 0.00 2.85 -0.65 -2.39 118.16 113.69 2kgk n LYS 88 Ca 0.22 0.04 0.13 0.00 -1.05 0.00 0.00 58.31 57.65 2kgk n LYS 88 Cb 0.52 -1.50 0.50 0.00 -0.65 0.00 0.00 35.03 33.90 2kgk n LYS 88 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 2kgk n ASN 89 N -1.16 0.20 -3.74 -5.58 2.85 0.41 -4.78 115.26 103.46 2kgk n ASN 89 Ca 0.13 0.14 -0.13 0.00 -0.11 0.00 0.00 54.58 54.62 2kgk n ASN 89 Cb 0.14 -0.21 -0.13 0.00 1.24 0.00 0.00 39.78 40.81 2kgk n ASN 89 CO 0.00 0.00 0.00 -0.70 -2.11 0.00 0.00 177.26 174.45 2kgk s GLU 90 N -2.94 0.20 0.00 1.20 2.56 -1.01 -5.08 118.70 113.64 2kgk s GLU 90 Ca 0.15 0.47 0.00 0.00 0.00 0.00 0.00 54.97 55.59 2kgk s GLU 90 Cb 0.19 -0.08 0.00 0.00 2.00 0.00 0.00 34.13 36.24 2kgk s GLU 90 CO 0.58 -0.14 1.00 -0.85 -0.56 0.00 0.00 175.26 175.29 2kgk n GLU 91 N 3.99 0.00 -3.53 4.30 0.28 -1.26 -4.31 120.64 120.10 2kgk n GLU 91 Ca -0.23 0.67 -0.40 0.00 -0.16 0.00 0.00 57.16 57.04 2kgk n GLU 91 Cb 0.54 -1.50 -0.11 0.00 1.43 0.00 0.00 31.44 31.81 2kgk n GLU 91 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 2kgk s GLU 92 N -2.99 3.48 -0.04 3.44 0.41 -1.26 -1.67 118.70 120.08 2kgk s GLU 92 Ca 0.00 -0.65 0.07 0.00 -0.41 0.00 0.00 54.97 53.98 2kgk s GLU 92 Cb 0.00 -3.80 -0.02 0.00 -1.78 0.00 0.00 34.13 28.53 2kgk s GLU 92 CO 0.00 -0.45 -0.24 0.96 -0.49 0.00 0.00 175.26 175.04 2kgk s ILE 93 N 1.72 2.16 -0.25 -1.63 -0.00 -1.04 -4.73 121.20 117.43 2kgk s ILE 93 Ca 0.06 -1.06 -0.08 0.00 -0.00 0.00 0.00 60.65 59.58 2kgk s ILE 93 Cb -0.17 -1.77 -0.03 0.00 -0.00 0.00 0.00 42.46 40.49 2kgk s ILE 93 CO 0.10 0.58 0.08 -0.36 -0.00 0.00 0.00 174.94 175.34 2kgk s PHE 94 N -0.46 3.10 -0.11 1.37 0.08 -1.00 -2.23 117.98 118.74 2kgk s PHE 94 Ca 0.05 -0.36 -0.04 0.00 0.12 0.00 0.00 56.93 56.70 2kgk s PHE 94 Cb -0.11 -2.24 -0.04 0.00 -0.57 0.00 0.00 43.02 40.06 2kgk s PHE 94 CO 0.01 -0.32 0.05 0.42 -0.10 0.00 0.00 175.22 175.27 2kgk s ILE 95 N 1.58 4.73 0.00 0.64 -1.09 -0.25 -2.37 121.20 124.43 2kgk s ILE 95 Ca 0.06 -0.08 0.00 0.00 -2.23 0.00 0.00 60.65 58.40 2kgk s ILE 95 Cb -0.15 -3.03 0.00 0.00 -1.58 0.00 0.00 42.46 37.70 2kgk s ILE 95 CO 0.04 0.59 0.00 0.33 -1.23 0.00 0.00 174.94 174.67 2kgk n PHE 96 N 2.27 0.00 0.00 3.97 -0.00 0.33 -1.78 117.46 122.24 2kgk n PHE 96 Ca -0.19 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.26 2kgk n PHE 96 Cb 0.54 0.03 0.00 0.00 -0.00 0.00 0.00 39.48 40.05 2kgk n PHE 96 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2kgk n GLY 97 N 2.95 0.62 0.00 7.13 0.00 0.30 -4.80 105.19 111.39 2kgk n GLY 97 Ca 0.00 0.63 0.00 0.00 0.00 0.00 0.00 46.02 46.65 2kgk n GLY 97 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kgk n GLY 98 N 0.00 -0.77 0.19 -0.02 0.00 -1.26 -1.99 105.19 101.34 2kgk n GLY 98 Ca 0.00 -0.32 -0.07 0.00 0.00 0.00 0.00 46.02 45.63 2kgk n GLY 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kgk h ALA 99 N 0.00 -0.58 -0.55 4.61 0.00 -1.99 -1.87 119.26 118.88 2kgk h ALA 99 Ca 0.00 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 54.84 2kgk h ALA 99 Cb 0.00 0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 2kgk h ALA 99 CO 0.00 -0.55 0.33 -0.56 0.00 0.00 0.00 179.25 178.47 2kgk h GLN 100 N -0.80 0.63 -0.07 0.00 3.07 -1.99 -1.78 115.11 114.17 2kgk h GLN 100 Ca -0.04 -0.04 0.04 0.00 0.09 0.00 0.00 58.65 58.69 2kgk h GLN 100 Cb 0.33 -0.14 -0.04 0.00 0.08 0.00 0.00 27.48 27.71 2kgk h GLN 100 CO 0.07 0.42 -0.17 0.82 0.09 0.00 0.00 178.83 180.06 2kgk h ILE 101 N 0.65 0.58 -0.90 1.86 1.08 -1.93 -1.49 117.51 117.35 2kgk h ILE 101 Ca 0.22 0.00 0.10 0.00 -0.39 0.00 0.00 64.86 64.79 2kgk h ILE 101 Cb 0.03 0.58 -0.07 0.00 -3.07 0.00 0.00 36.82 34.29 2kgk h ILE 101 CO -0.10 0.00 0.58 0.22 -0.69 0.00 0.00 178.15 178.16 2kgk h TYR 102 N -0.24 0.96 0.29 1.37 3.20 -0.97 -0.91 116.97 120.68 2kgk h TYR 102 Ca 0.08 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.98 2kgk h TYR 102 Cb 0.35 -0.31 -0.02 0.00 1.54 0.00 0.00 36.73 38.28 2kgk h TYR 102 CO -0.25 0.44 -0.30 0.22 -1.64 0.00 0.00 178.16 176.62 2kgk h ASP 103 N 0.89 -0.82 1.18 -2.11 3.58 -0.40 -0.62 116.42 118.12 2kgk h ASP 103 Ca 0.42 0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.94 2kgk h ASP 103 Cb 0.42 0.28 0.00 0.00 1.72 0.00 0.00 39.33 41.75 2kgk h ASP 103 CO -0.18 -0.43 0.00 0.17 -2.88 0.00 0.00 179.24 175.92 2kgk h LEU 104 N -0.63 0.00 -0.16 2.28 8.10 -1.14 -2.58 115.31 121.18 2kgk h LEU 104 Ca -0.01 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.98 2kgk h LEU 104 Cb 0.58 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.80 2kgk h LEU 104 CO -0.07 0.00 -0.24 0.49 -4.11 0.00 0.00 178.44 174.51 2kgk n PHE 105 N -2.92 0.00 -0.37 0.17 3.72 -0.37 -4.32 117.46 113.37 2kgk n PHE 105 Ca 0.02 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.31 2kgk n PHE 105 Cb 0.34 -0.25 -0.09 0.00 -0.94 0.00 0.00 39.48 38.54 2kgk n PHE 105 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 2kgk h LEU 106 N 0.39 -2.06 -0.77 4.37 3.38 -0.71 0.60 115.31 120.51 2kgk h LEU 106 Ca 0.00 0.31 0.00 0.00 0.09 0.00 0.00 57.88 58.28 2kgk h LEU 106 Cb 0.45 0.91 0.00 0.00 0.09 0.00 0.00 40.66 42.11 2kgk h LEU 106 CO 0.00 -0.26 0.00 1.55 0.09 0.00 0.00 178.44 179.82 2kgk h PRO 107 N -0.06 0.00 -0.02 1.13 0.13 -1.83 -2.73 132.00 128.61 2kgk h PRO 107 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 2kgk h PRO 107 Cb 0.45 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.58 2kgk h PRO 107 CO -0.89 0.00 -0.12 0.66 -0.23 0.00 0.00 178.00 177.42 2kgk n TYR 108 N -2.35 0.00 -4.19 1.56 4.01 0.18 -4.93 117.16 111.44 2kgk n TYR 108 Ca 0.02 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.49 2kgk n TYR 108 Cb 0.25 -0.01 -0.08 0.00 -0.31 0.00 0.00 39.34 39.19 2kgk n TYR 108 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2kgk s VAL 109 N -2.14 3.77 -0.06 -0.72 0.11 0.44 -4.88 120.40 116.91 2kgk s VAL 109 Ca 0.28 -1.35 -0.01 0.00 -2.93 0.00 0.00 61.98 57.97 2kgk s VAL 109 Cb 0.20 -2.88 -0.03 0.00 -1.53 0.00 0.00 36.38 32.14 2kgk s VAL 109 CO 0.38 -0.07 -0.06 0.47 -3.33 0.00 0.00 175.10 172.50 2kgk n ASP 110 N -0.00 2.33 -4.47 3.54 9.92 -0.89 -4.89 116.55 122.08 2kgk n ASP 110 Ca -0.10 0.01 -0.33 0.00 -0.53 0.00 0.00 54.79 53.84 2kgk n ASP 110 Cb 0.55 -0.12 -0.13 0.00 -0.64 0.00 0.00 41.12 40.78 2kgk n ASP 110 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 2kgk s LYS 111 N -2.11 3.23 -0.16 -1.24 -0.14 0.81 -1.03 119.74 119.10 2kgk s LYS 111 Ca -0.08 -0.60 0.00 0.00 -1.36 0.00 0.00 55.97 53.94 2kgk s LYS 111 Cb 0.02 -2.68 0.03 0.00 -1.68 0.00 0.00 37.83 33.52 2kgk s LYS 111 CO 0.11 0.38 -0.11 -1.17 -0.76 0.00 0.00 175.35 173.80 2kgk s LEU 112 N -0.04 1.74 -0.20 3.17 2.96 0.10 -1.81 118.68 124.60 2kgk s LEU 112 Ca -0.01 -0.57 -0.03 0.00 -0.22 0.00 0.00 54.13 53.30 2kgk s LEU 112 Cb -0.14 -1.12 -0.01 0.00 0.50 0.00 0.00 46.19 45.43 2kgk s LEU 112 CO 0.03 -0.10 -0.06 -0.31 -1.32 0.00 0.00 176.35 174.60 2kgk s TYR 113 N 1.51 2.94 -0.08 5.38 2.02 -0.55 -0.40 117.35 128.18 2kgk s TYR 113 Ca 0.03 -0.82 0.02 0.00 -0.37 0.00 0.00 57.07 55.93 2kgk s TYR 113 Cb -0.14 -2.04 0.01 0.00 -0.40 0.00 0.00 41.96 39.39 2kgk s TYR 113 CO -0.09 -0.44 -0.15 0.42 -1.57 0.00 0.00 175.55 173.72 2kgk s ILE 114 N 1.17 1.39 -0.40 2.71 1.09 -1.17 -2.57 121.20 123.42 2kgk s ILE 114 Ca 0.02 -0.62 -0.13 0.00 -1.10 0.00 0.00 60.65 58.82 2kgk s ILE 114 Cb -0.14 -1.25 0.03 0.00 -1.06 0.00 0.00 42.46 40.04 2kgk s ILE 114 CO -0.01 0.41 0.27 -0.89 -0.10 0.00 0.00 174.94 174.62 2kgk s THR 115 N 0.67 4.91 -0.11 2.92 2.01 -0.73 -1.64 115.64 123.67 2kgk s THR 115 Ca -0.14 -0.85 -0.23 0.00 0.31 0.00 0.00 61.69 60.78 2kgk s THR 115 Cb -0.16 -3.78 -0.03 0.00 0.01 0.00 0.00 72.50 68.54 2kgk s THR 115 CO 0.04 -0.33 0.71 -0.75 -0.69 0.00 0.00 174.62 173.60 2kgk s LYS 116 N 1.61 4.38 -0.09 4.92 2.20 -0.09 0.80 119.74 133.47 2kgk s LYS 116 Ca 0.03 0.87 -0.02 0.00 -0.36 0.00 0.00 55.97 56.49 2kgk s LYS 116 Cb -0.20 -3.49 -0.03 0.00 -1.51 0.00 0.00 37.83 32.60 2kgk s LYS 116 CO 0.08 -0.06 -0.01 0.42 -0.36 0.00 0.00 175.35 175.42 2kgk s ILE 117 N 1.22 4.22 -2.37 5.43 1.01 -0.54 -0.36 121.20 129.81 2kgk s ILE 117 Ca 0.36 -0.28 0.28 0.00 0.00 0.00 0.00 60.65 61.01 2kgk s ILE 117 Cb -0.17 -2.78 0.50 0.00 0.01 0.00 0.00 42.46 40.02 2kgk s ILE 117 CO 0.16 0.59 1.71 0.00 0.00 0.00 0.00 174.94 177.40 2kgk n HIS 118 N 2.28 0.00 -3.79 3.97 1.44 -1.04 -3.22 115.22 114.86 2kgk n HIS 118 Ca -0.18 0.00 -0.25 0.00 -2.01 0.00 0.00 57.72 55.28 2kgk n HIS 118 Cb 0.53 -0.02 -0.17 0.00 0.12 0.00 0.00 29.99 30.45 2kgk n HIS 118 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 2kgk s HIS 119 N -2.09 0.97 -0.03 -1.40 5.65 -1.26 -4.98 115.29 112.16 2kgk s HIS 119 Ca 0.36 -0.50 -0.29 0.00 0.25 0.00 0.00 55.06 54.88 2kgk s HIS 119 Cb 0.21 -0.97 0.10 0.00 -1.18 0.00 0.00 32.58 30.74 2kgk s HIS 119 CO 0.37 -0.45 0.87 0.00 -0.65 0.00 0.00 174.74 174.88 2kgk s ALA 120 N 1.88 -1.82 0.16 1.58 0.00 -1.26 -4.90 121.76 117.40 2kgk s ALA 120 Ca 0.03 1.11 0.10 0.00 0.00 0.00 0.00 51.96 53.20 2kgk s ALA 120 Cb -0.14 0.19 -0.04 0.00 0.00 0.00 0.00 23.12 23.14 2kgk s ALA 120 CO -0.07 -0.59 -0.18 0.12 0.00 0.00 0.00 175.76 175.04 2kgk s PHE 121 N -2.61 2.47 1.06 0.00 5.36 -1.26 -4.47 117.98 118.54 2kgk s PHE 121 Ca 0.02 -0.29 -0.19 0.00 -0.96 0.00 0.00 56.93 55.51 2kgk s PHE 121 Cb -0.01 -1.25 0.05 0.00 -0.34 0.00 0.00 43.02 41.47 2kgk s PHE 121 CO -0.06 0.46 -0.28 0.39 -1.46 0.00 0.00 175.22 174.28 2kgk n GLU 122 N 0.39 -1.39 0.00 10.12 -0.58 -1.25 -4.69 120.64 123.24 2kgk n GLU 122 Ca -0.13 -0.40 0.00 0.00 -0.42 0.00 0.00 57.16 56.21 2kgk n GLU 122 Cb 0.55 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.93 2kgk n GLU 122 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2kgk n GLY 123 N 2.45 1.55 0.35 0.62 0.00 -1.25 -4.70 105.19 104.20 2kgk n GLY 123 Ca 0.01 0.14 -0.21 0.00 0.00 0.00 0.00 46.02 45.96 2kgk n GLY 123 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2kgk n ASP 124 N 0.00 1.52 -4.32 1.61 5.75 -0.74 -4.86 116.55 115.50 2kgk n ASP 124 Ca 0.00 0.22 -0.46 0.00 -0.01 0.00 0.00 54.79 54.54 2kgk n ASP 124 Cb 0.00 -0.58 -0.04 0.00 -1.03 0.00 0.00 41.12 39.47 2kgk n ASP 124 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 2kgk s THR 125 N -2.37 5.33 -0.07 2.12 2.01 -1.01 -5.01 115.64 116.64 2kgk s THR 125 Ca -0.28 -1.82 0.04 0.00 0.31 0.00 0.00 61.69 59.93 2kgk s THR 125 Cb 0.11 -4.40 -0.02 0.00 0.01 0.00 0.00 72.50 68.20 2kgk s THR 125 CO 0.37 -0.95 -0.19 0.72 -0.69 0.00 0.00 174.62 173.87 2kgk s PHE 126 N 1.16 2.59 -0.33 4.92 -0.12 -1.26 -1.76 117.98 123.18 2kgk s PHE 126 Ca 0.09 -0.52 0.01 0.00 -0.05 0.00 0.00 56.93 56.46 2kgk s PHE 126 Cb -0.22 -1.65 0.19 0.00 -0.63 0.00 0.00 43.02 40.70 2kgk s PHE 126 CO -0.01 -0.08 0.77 0.12 -0.05 0.00 0.00 175.22 175.96 2kgk s PHE 127 N -0.25 -1.31 0.97 3.49 5.36 -0.96 -4.72 117.98 120.55 2kgk s PHE 127 Ca 0.00 0.52 -0.15 0.00 -0.96 0.00 0.00 56.93 56.34 2kgk s PHE 127 Cb -0.13 0.23 0.18 0.00 -0.34 0.00 0.00 43.02 42.96 2kgk s PHE 127 CO 0.03 -0.82 1.20 -1.25 -1.46 0.00 0.00 175.22 172.92 2kgk s PRO 128 N 2.43 0.65 -0.86 10.12 0.04 -1.23 -4.30 135.00 141.86 2kgk s PRO 128 Ca 0.16 -0.03 -0.20 0.00 0.04 0.00 0.00 61.00 60.97 2kgk s PRO 128 Cb -0.04 -1.81 -0.20 0.00 0.04 0.00 0.00 34.50 32.48 2kgk s PRO 128 CO -0.18 -2.47 2.32 -0.85 0.04 0.00 0.00 177.00 175.86 2kgk n GLU 129 N -3.89 0.37 -0.08 4.56 0.28 -1.26 -4.68 120.64 115.94 2kgk n GLU 129 Ca 0.11 -0.59 -0.14 0.00 -0.16 0.00 0.00 57.16 56.38 2kgk n GLU 129 Cb 0.60 -2.82 -0.08 0.00 1.43 0.00 0.00 31.44 30.57 2kgk n GLU 129 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 177.13 177.49 2kgk h MET 130 N 12.11 0.00 -0.38 3.44 2.86 -2.02 -3.48 114.93 127.46 2kgk h MET 130 Ca 0.01 0.00 0.24 0.00 -2.06 0.00 0.00 59.70 57.89 2kgk h MET 130 Cb 1.04 0.00 -0.22 0.00 0.06 0.00 0.00 31.60 32.48 2kgk h MET 130 CO 1.20 0.64 0.22 0.34 1.06 0.00 0.00 176.91 180.38 2kgk s ASP 131 N -6.32 -0.38 0.00 1.22 -1.08 -1.26 -5.03 116.67 103.81 2kgk s ASP 131 Ca -0.21 0.31 0.00 0.00 -0.52 0.00 0.00 52.55 52.14 2kgk s ASP 131 Cb 0.03 1.35 0.00 0.00 -1.46 0.00 0.00 42.92 42.84 2kgk s ASP 131 CO 0.45 -0.07 0.19 1.15 0.52 0.00 0.00 175.17 177.41 2kgk n MET 132 N 5.26 -0.21 0.25 4.34 0.00 -1.26 -4.79 117.12 120.72 2kgk n MET 132 Ca -0.08 -0.20 0.12 0.00 0.00 0.00 0.00 57.70 57.55 2kgk n MET 132 Cb 0.54 -0.65 0.48 0.00 0.00 0.00 0.00 33.22 33.59 2kgk n MET 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2kgk h THR 133 N 0.81 0.04 -0.12 3.17 1.03 -2.03 0.74 112.91 116.56 2kgk h THR 133 Ca 0.00 0.00 0.04 0.00 -0.01 0.00 0.00 66.41 66.44 2kgk h THR 133 Cb 0.39 0.36 -0.00 0.00 -1.07 0.00 0.00 68.15 67.83 2kgk h THR 133 CO 0.00 0.00 0.14 -1.13 -0.01 0.00 0.00 175.52 174.52 2kgk h ASN 134 N 0.00 0.00 -3.30 0.00 -1.24 -2.04 -3.39 115.58 105.61 2kgk h ASN 134 Ca 0.07 0.00 -0.64 0.00 0.71 0.00 0.00 56.30 56.45 2kgk h ASN 134 Cb 1.42 0.00 -0.19 0.00 0.73 0.00 0.00 38.32 40.28 2kgk h ASN 134 CO -0.00 0.00 -0.63 0.26 -1.29 0.00 0.00 177.43 175.77 2kgk s TRP 135 N -4.64 3.11 0.14 0.67 0.52 0.26 -5.06 118.94 113.94 2kgk s TRP 135 Ca -0.05 -0.11 -0.09 0.00 0.02 0.00 0.00 56.10 55.87 2kgk s TRP 135 Cb 0.15 -1.96 -0.06 0.00 -1.15 0.00 0.00 33.47 30.45 2kgk s TRP 135 CO 0.55 0.10 0.44 0.21 0.02 0.00 0.00 176.95 178.27 2kgk s LYS 136 N 0.15 3.75 0.13 4.98 2.20 -1.25 -4.94 119.74 124.77 2kgk s LYS 136 Ca 0.01 0.15 0.00 0.00 -0.36 0.00 0.00 55.97 55.77 2kgk s LYS 136 Cb -0.13 -2.87 -0.04 0.00 -1.51 0.00 0.00 37.83 33.28 2kgk s LYS 136 CO 0.02 0.47 0.29 -1.83 -0.36 0.00 0.00 175.35 173.94 2kgk s GLU 137 N -2.34 3.47 0.00 4.03 1.03 -1.26 -1.82 118.70 121.81 2kgk s GLU 137 Ca 0.39 -0.46 0.00 0.00 0.03 0.00 0.00 54.97 54.93 2kgk s GLU 137 Cb -0.13 -2.96 0.00 0.00 -0.80 0.00 0.00 34.13 30.24 2kgk s GLU 137 CO 0.21 0.53 0.16 1.33 -1.33 0.00 0.00 175.26 176.15 2kgk n VAL 138 N -0.23 0.00 -3.63 1.83 0.24 -0.73 -4.96 118.33 110.85 2kgk n VAL 138 Ca -0.06 -0.26 -0.04 0.00 -2.04 0.00 0.00 64.34 61.95 2kgk n VAL 138 Cb 0.53 1.29 -0.04 0.00 -1.47 0.00 0.00 33.84 34.15 2kgk n VAL 138 CO 0.00 0.00 0.00 0.12 -2.14 0.00 0.00 176.83 174.81 2kgk s PHE 139 N -0.20 -0.12 -0.10 6.34 5.36 -1.25 -5.05 117.98 122.96 2kgk s PHE 139 Ca 0.00 0.20 -0.05 0.00 -0.96 0.00 0.00 56.93 56.12 2kgk s PHE 139 Cb 0.00 0.48 0.05 0.00 -0.34 0.00 0.00 43.02 43.21 2kgk s PHE 139 CO 0.00 -0.11 0.24 0.54 -1.46 0.00 0.00 175.22 174.43 2kgk s VAL 140 N -1.02 -0.09 0.29 3.12 0.11 -1.26 -0.77 120.40 120.77 2kgk s VAL 140 Ca 0.06 0.17 0.10 0.00 -2.93 0.00 0.00 61.98 59.39 2kgk s VAL 140 Cb -0.01 -0.37 -0.05 0.00 -1.53 0.00 0.00 36.38 34.42 2kgk s VAL 140 CO -0.06 0.07 -0.05 -0.70 -3.33 0.00 0.00 175.10 171.03 2kgk s GLU 141 N 1.40 2.08 0.28 1.54 2.12 0.97 -5.00 118.70 122.10 2kgk s GLU 141 Ca -0.08 -1.58 0.12 0.00 0.36 0.00 0.00 54.97 53.79 2kgk s GLU 141 Cb -0.11 -2.01 -0.05 0.00 0.26 0.00 0.00 34.13 32.22 2kgk s GLU 141 CO -0.08 0.31 -0.18 -1.59 -0.54 0.00 0.00 175.26 173.18 2kgk s LYS 142 N -3.64 1.75 0.00 4.30 0.00 -1.26 0.03 119.74 120.92 2kgk s LYS 142 Ca 0.32 -1.73 0.00 0.00 0.00 0.00 0.00 55.97 54.56 2kgk s LYS 142 Cb -0.05 -1.82 0.00 0.00 0.00 0.00 0.00 37.83 35.97 2kgk s LYS 142 CO 0.18 0.33 0.00 0.41 0.00 0.00 0.00 175.35 176.28 2kgk n GLY 143 N -0.65 2.43 3.61 0.59 0.00 0.75 -4.81 105.19 107.10 2kgk n GLY 143 Ca -0.05 -1.86 -0.04 0.00 0.00 0.00 0.00 46.02 44.06 2kgk n GLY 143 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2kgk s LEU 144 N 0.00 -0.13 0.61 0.99 2.96 -1.26 -4.85 118.68 117.00 2kgk s LEU 144 Ca 0.00 0.05 -0.12 0.00 -0.22 0.00 0.00 54.13 53.84 2kgk s LEU 144 Cb 0.00 1.35 -0.04 0.00 0.50 0.00 0.00 46.19 48.00 2kgk s LEU 144 CO 0.00 -0.19 1.03 0.28 -1.32 0.00 0.00 176.35 176.15 2kgk s THR 145 N -2.00 4.56 0.09 3.68 -1.32 -0.89 -4.67 115.64 115.09 2kgk s THR 145 Ca 0.08 0.90 -0.26 0.00 -1.21 0.00 0.00 61.69 61.20 2kgk s THR 145 Cb -0.01 -3.77 0.07 0.00 -1.51 0.00 0.00 72.50 67.28 2kgk s THR 145 CO -0.05 -1.02 0.63 -1.81 -2.21 0.00 0.00 174.62 170.16 2kgk s ASP 146 N -3.93 -0.60 0.43 8.08 1.01 -0.60 -4.91 116.67 116.15 2kgk s ASP 146 Ca 0.56 0.25 0.09 0.00 0.71 0.00 0.00 52.55 54.16 2kgk s ASP 146 Cb -0.11 0.58 0.92 0.00 1.01 0.00 0.00 42.92 45.32 2kgk s ASP 146 CO 0.50 -0.84 2.06 1.05 0.21 0.00 0.00 175.17 178.16 2kgk h GLU 147 N 2.34 0.46 0.00 8.23 4.11 -1.99 0.37 114.58 128.11 2kgk h GLU 147 Ca -0.31 -0.03 -0.09 0.00 0.07 0.00 0.00 59.36 59.00 2kgk h GLU 147 Cb 1.25 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.38 2kgk h GLU 147 CO 0.38 0.31 -0.44 0.87 0.07 0.00 0.00 179.01 180.20 2kgk h LYS 148 N 0.48 0.00 -1.85 1.06 6.56 -2.02 -3.39 116.57 117.41 2kgk h LYS 148 Ca 0.14 0.00 -0.41 0.00 -1.06 0.00 0.00 60.65 59.33 2kgk h LYS 148 Cb -0.01 0.00 -0.30 0.00 -0.57 0.00 0.00 32.23 31.36 2kgk h LYS 148 CO -0.03 0.44 -0.76 0.54 -2.06 0.00 0.00 179.45 177.58 2kgk s ASN 149 N -6.45 0.47 -1.05 0.86 2.20 0.09 -4.89 114.94 106.18 2kgk s ASN 149 Ca 0.01 -2.33 -0.21 0.00 -0.94 0.00 0.00 52.86 49.40 2kgk s ASN 149 Cb 0.10 0.51 -0.09 0.00 -2.00 0.00 0.00 41.25 39.77 2kgk s ASN 149 CO 0.71 -0.15 1.94 -0.81 -2.94 0.00 0.00 177.10 175.85 2kgk n PRO 150 N 3.18 1.87 -0.85 3.55 -0.04 0.11 -1.55 135.00 141.27 2kgk n PRO 150 Ca 0.22 -2.30 0.00 0.00 -0.04 0.00 0.00 63.50 61.38 2kgk n PRO 150 Cb 0.50 -3.30 0.00 0.00 -0.04 0.00 0.00 33.50 30.66 2kgk n PRO 150 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2kgk n TYR 151 N 9.82 -0.44 -3.55 0.54 4.01 -1.26 -4.91 117.16 121.37 2kgk n TYR 151 Ca 0.48 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 58.17 2kgk n TYR 151 Cb 0.43 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.39 2kgk n TYR 151 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 2kgk s THR 152 N -2.56 -0.77 0.39 -0.72 2.01 -1.26 -2.09 115.64 110.63 2kgk s THR 152 Ca 0.00 0.07 0.06 0.00 0.31 0.00 0.00 61.69 62.13 2kgk s THR 152 Cb 0.00 -0.81 -0.07 0.00 0.01 0.00 0.00 72.50 71.63 2kgk s THR 152 CO 0.00 0.01 0.03 -0.72 -0.69 0.00 0.00 174.62 173.25 2kgk s TYR 153 N 2.70 2.31 -0.02 4.92 -0.85 -1.26 -2.49 117.35 122.66 2kgk s TYR 153 Ca 0.02 -0.78 0.01 0.00 -0.52 0.00 0.00 57.07 55.80 2kgk s TYR 153 Cb -0.13 -1.61 0.01 0.00 0.38 0.00 0.00 41.96 40.61 2kgk s TYR 153 CO -0.16 0.30 -0.04 0.71 -1.52 0.00 0.00 175.55 174.84 2kgk s TYR 154 N -2.90 0.51 -0.16 -3.49 1.51 0.51 -0.18 117.35 113.14 2kgk s TYR 154 Ca 0.34 -0.10 -0.15 0.00 -1.01 0.00 0.00 57.07 56.15 2kgk s TYR 154 Cb 0.09 -0.44 -0.04 0.00 -0.11 0.00 0.00 41.96 41.46 2kgk s TYR 154 CO 0.17 -0.10 0.33 -0.47 -1.11 0.00 0.00 175.55 174.37 2kgk s TYR 155 N 0.51 3.45 0.04 2.71 5.04 0.11 -0.91 117.35 128.29 2kgk s TYR 155 Ca -0.06 0.63 0.06 0.00 -2.44 0.00 0.00 57.07 55.26 2kgk s TYR 155 Cb -0.09 -2.40 -0.03 0.00 0.35 0.00 0.00 41.96 39.78 2kgk s TYR 155 CO -0.00 0.18 -0.13 -1.01 -1.34 0.00 0.00 175.55 173.25 2kgk s HIS 156 N 0.65 2.70 -0.26 4.97 3.76 -0.65 -0.02 115.29 126.43 2kgk s HIS 156 Ca 0.18 -0.17 0.01 0.00 -0.15 0.00 0.00 55.06 54.93 2kgk s HIS 156 Cb -0.14 -1.51 0.05 0.00 1.11 0.00 0.00 32.58 32.09 2kgk s HIS 156 CO 0.05 0.32 -0.08 0.08 -0.85 0.00 0.00 174.74 174.27 2kgk s VAL 157 N -1.00 2.52 0.14 -0.90 1.01 0.05 -3.02 120.40 119.19 2kgk s VAL 157 Ca 0.17 -1.37 0.10 0.00 0.00 0.00 0.00 61.98 60.88 2kgk s VAL 157 Cb -0.11 -2.39 -0.04 0.00 0.00 0.00 0.00 36.38 33.84 2kgk s VAL 157 CO 0.07 0.06 -0.23 -0.31 0.00 0.00 0.00 175.10 174.69 2kgk s TYR 158 N 1.21 2.40 0.06 5.22 2.02 0.47 -1.78 117.35 126.95 2kgk s TYR 158 Ca -0.05 -0.33 -0.20 0.00 -0.37 0.00 0.00 57.07 56.12 2kgk s TYR 158 Cb -0.18 -1.27 0.04 0.00 -0.40 0.00 0.00 41.96 40.15 2kgk s TYR 158 CO -0.05 0.38 0.47 -1.83 -1.57 0.00 0.00 175.55 172.95 2kgk s GLU 159 N -2.19 1.01 0.33 -0.62 -1.05 -0.75 0.02 118.70 115.45 2kgk s GLU 159 Ca 0.17 -0.36 0.06 0.00 -0.15 0.00 0.00 54.97 54.68 2kgk s GLU 159 Cb -0.10 0.46 -0.01 0.00 -0.44 0.00 0.00 34.13 34.04 2kgk s GLU 159 CO 0.08 -0.37 0.48 0.15 0.95 0.00 0.00 175.26 176.55 2kgk s LYS 160 N -2.72 3.16 0.02 -4.83 -0.14 -0.20 -3.77 119.74 111.26 2kgk s LYS 160 Ca -0.04 -0.91 -0.28 0.00 -1.36 0.00 0.00 55.97 53.38 2kgk s LYS 160 Cb -0.00 -2.80 -0.16 0.00 -1.68 0.00 0.00 37.83 33.18 2kgk s LYS 160 CO -0.04 0.08 1.21 1.96 -0.76 0.00 0.00 175.35 177.80 2kgk h GLN 161 N 0.88 -0.87 0.00 1.68 1.08 -1.97 -3.49 115.11 112.42 2kgk h GLN 161 Ca -0.47 0.06 0.00 0.00 -1.45 0.00 0.00 58.65 56.79 2kgk h GLN 161 Cb 1.25 0.20 0.00 0.00 -0.05 0.00 0.00 27.48 28.88 2kgk h GLN 161 CO 0.54 -0.55 0.00 0.00 -0.95 0.00 0.00 178.83 177.88